SCHEMBL17686345

SCHEMBL17686345

COC(=O)c1c(CCCO)c2cccc3c2n1CCS3

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 12/20 0.56
BCL2 P10415 8/20 0.56
BCL2L1 Q07817 4/20 0.54
LIPG Q9Y5X9 1/20 0.39
MAPT P10636 3/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17686343 0.93 MCL1 (0.54) MCL1BCL2BCL2L1LIPGMAPT
SCHEMBL17686324 0.85 MCL1 (0.51) MCL1BCL2BCL2L1MAPTLMNA
SCHEMBL17686302 0.83 MCL1 (0.53) MCL1BCL2BCL2L1MAPTLMNA
SCHEMBL17686337 0.80 MCL1 (0.70) MCL1BCL2BCL2L1
SCHEMBL17686338 0.79 MCL1 (0.56) MCL1BCL2BCL2L1MAPTLMNA
SCHEMBL17686334 0.78 MCL1 (0.56) MCL1BCL2BCL2L1LIPG
SCHEMBL8558228 0.75 MCL1 (0.52) MCL1BCL2BCL2L1LIPGMAPT
SCHEMBL17686308 0.72 MCL1 (1.00) MCL1BCL2BCL2L1
SCHEMBL17686307 0.72 MCL1 (0.53) MCL1BCL2BCL2L1MAPTLMNA
SCHEMBL9304231 0.72 MCL1 (0.52) MCL1BCL2BCL2L1MAPTLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9949965-B2 Tricyclic indole Mcl-1 inhibitors and uses thereof VANDERBILT UNIVERSITY (US) 2018-04-24 US disclosed
US-20160106731-A1 TRICYCLIC INDOLE MCL-1 INHIBITORS AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160106731-A1 TRICYCLIC INDOLE MCL-1 INHIBITORS AND USES THEREOF MCL1, BCL2L1, BCL3 MCL1 1/4885BCL2 4/4885BCL2L1 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.